1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C18H19N5O2S — CID 90637895

IUPAC1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1cncc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C18H19N5O2S/c1-22(2)15-9-19-10-16(21-15)25-12-7-8-23(11-12)18(24)17-20-13-5-3-4-6-14(13)26-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyYGZPTNMHRRQVDL-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.45
Rot. Bonds4

About 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 90637895) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
PubChem CID90637895
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCN(C)c1cncc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C18H19N5O2S/c1-22(2)15-9-19-10-16(21-15)25-12-7-8-23(11-12)18(24)17-20-13-5-3-4-6-14(13)26-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyYGZPTNMHRRQVDL-UHFFFAOYSA-N
XLogP2.45
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 90637895) is 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CN(C)c1cncc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)n1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is YGZPTNMHRRQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22(2)15-9-19-10-16(21-15)25-12-7-8-23(11-12)18(24)17-20-13-5-3-4-6-14(13)26-17/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90637895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).